1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione

C11H19N3O2 — CID 65482147

IUPAC1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CC2(CCN)CC2)C(=O)C1=O
InChIInChI=1S/C11H19N3O2/c1-13-6-7-14(10(16)9(13)15)8-11(2-3-11)4-5-12/h2-8,12H2,1H3
InChIKeyVBHYCZJSHXLYMH-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.58
Rot. Bonds4

About 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione

1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione (PubChem CID 65482147) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione
PubChem CID65482147
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CC2(CCN)CC2)C(=O)C1=O
InChIInChI=1S/C11H19N3O2/c1-13-6-7-14(10(16)9(13)15)8-11(2-3-11)4-5-12/h2-8,12H2,1H3
InChIKeyVBHYCZJSHXLYMH-UHFFFAOYSA-N
XLogP-0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione (CID 65482147) is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione is CN1CCN(CC2(CCN)CC2)C(=O)C1=O.
What is the InChIKey of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione?
The InChIKey is VBHYCZJSHXLYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-13-6-7-14(10(16)9(13)15)8-11(2-3-11)4-5-12/h2-8,12H2,1H3.
What are the key properties of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione?
1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione has a molecular weight of 225.29 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 65482147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).